| General Property |
| Molceule ID (DB) | EGIN0004172 |
| Inhibitor Class | Anthraquinone |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | (1R,2S,3R,4S)-1,2,3,4,5-pentahydroxy-7-methoxy-2-methyl-1,2,3,4,9,10-hexahydroanthracene-9,10-dione |
| Formula | C16H16O8 |
| Mass | 336.2934 |
| Exact Mass | 336.0845175 |
| Composition | C (57.14%), H (4.8%), O (38.06%) |
| Atom Count | 40 |
| PI | 3.19 |
| Smiles | c1(cc(c2c(c1)C(=O)C1=C(C2=O)[C@@H]([C@H]([C@]([C@@H]1O)(O)C)O)O)O)OC |
| InChI | 1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20
-23H,1-2H3/t13-,14+,15+,16-/m0/s1 |
| InChIKey | VSMBLBOUQJNJIL-JJXSEGSLSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 19271717 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT1 | Aurora A | Aurora B | CDK4/CycD1 | FAK | FLT3 | IGF1R | PLK1 | SAK | SRC | TIE2 | VEGFR2 | VEGFR3 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 80909 |
| ChEMBL Link | CHEMBL512054 |
